4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline

C15H17ClN2 — CID 55184612

IUPAC4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
SMILESCc1cc(N2CCCC2CCl)c2ccccc2n1
InChIInChI=1S/C15H17ClN2/c1-11-9-15(18-8-4-5-12(18)10-16)13-6-2-3-7-14(13)17-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3
InChIKeyAQBVAXSSVXNPPI-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.75
Rot. Bonds2

About 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline

4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline (PubChem CID 55184612) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
PubChem CID55184612
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
SMILESCc1cc(N2CCCC2CCl)c2ccccc2n1
InChIInChI=1S/C15H17ClN2/c1-11-9-15(18-8-4-5-12(18)10-16)13-6-2-3-7-14(13)17-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3
InChIKeyAQBVAXSSVXNPPI-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine
CID 63767577
[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 137363110
2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
CID 63445345
4-(2-ethylpiperazin-1-yl)-2-methylquinoline
CID 63602882
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine
CID 83105633
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
CID 63375255
[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid
CID 69283414
6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
CID 114780841

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline?
The IUPAC name of 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline (CID 55184612) is 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline.
What is the SMILES notation for 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline?
The canonical SMILES for 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline is Cc1cc(N2CCCC2CCl)c2ccccc2n1.
What is the InChIKey of 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline?
The InChIKey is AQBVAXSSVXNPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-9-15(18-8-4-5-12(18)10-16)13-6-2-3-7-14(13)17-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3.
What are the key properties of 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline?
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline has a molecular weight of 260.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline is sourced from PubChem (CID 55184612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).